ethyl 4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H31N5O7 MolecularWeight: 537.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O7/c1-2-38-26(34)30-15-13-29(14-16-30)25(33)19-7-8-23(24(17-19)32(36)37)28-11-9-21(10-12-28)31-22-6-4-3-5-20(22)18-39-27(31)35/h3-8,17,21H,2,9-16,18H2,1H3